[Pw_forum] Matlab call pw.x

2014-03-11 Thread Sclauzero Gabriele
Dear Lijuan, Please try to explain better your problem. What does it happen when you run that command within Matlab? Do you get an error message? Nothing happens? ...? I don't think the problem is mpi, the code should work anyway on one processor. It works on my Ubuntu desktop with QE 5.0.3 a

[Pw_forum] Matlab call pw.x

2014-03-11 Thread Lijuan He
Dear Filipe, Thanks. I do have mpi installed. But I still cannot use Matlab to call pw.x directly. Instead I use Matlab to submit the job file. It works now. But the thing is that I need to make Matlab wait till the job finish. Best, Lijuan He PhD student in Georgia Tech 2014-03-07 18:16 GMT-05

[Pw_forum] Matlab call pw.x

2014-03-07 Thread Filipe Camargo Dalmatti Alves Lima
Do you have mpi installed in machine? type it in terminal: locate mpirun it should give you something like: /usr/local/openmpi/bin/mpirun /usr/local/openmpi/share/man/man1/mpirun.1 Regardless your linux provides a mpirun by default, I suggest you to install it by yourself: http://www.open-mpi

[Pw_forum] Matlab call pw.x

2014-03-07 Thread Lijuan He
Dear everyone, I am trying to use Matlab to call pw.x but it does not work. My command line is system('~/espresso/bin/pw.x< ~/debug/H2+H.in >H2+H.out'). I know it probably because I need to first run mpi then call pw.x. But I cannot find the mpi. Anyone knows how to do this. Thanks very much. Bes